1,1,2,3,4,5,6-heptamethylpiperidin-1-ium;2,3,4,4,5,6-hexamethylmorpholin-4-ium;1,2,3,4,5,6-hexamethylpyridin-1-ium;1,1,2,3,4,5-hexamethylpyrrolidin-1-ium;1,2,3,4,5-pentamethyl-2H-imidazole;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,3,5,6-pentamethylpyridin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;1,2,3,4,5-pentamethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethyl-3H-1,2,4-triazole

C102H191N16O+7 — CID 162287890

About 1,1,2,3,4,5,6-heptamethylpiperidin-1-ium;2,3,4,4,5,6-hexamethylmorpholin-4-ium;1,2,3,4,5,6-hexamethylpyridin-1-ium;1,1,2,3,4,5-hexamethylpyrrolidin-1-ium;1,2,3,4,5-pentamethyl-2H-imidazole;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,3,5,6-pentamethylpyridin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;1,2,3,4,5-pentamethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethyl-3H-1,2,4-triazole

1,1,2,3,4,5,6-heptamethylpiperidin-1-ium;2,3,4,4,5,6-hexamethylmorpholin-4-ium;1,2,3,4,5,6-hexamethylpyridin-1-ium;1,1,2,3,4,5-hexamethylpyrrolidin-1-ium;1,2,3,4,5-pentamethyl-2H-imidazole;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,3,5,6-pentamethylpyridin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;1,2,3,4,5-pentamethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethyl-3H-1,2,4-triazole (PubChem CID 162287890) has the molecular formula C102H191N16O+7 and a molecular weight of 1657.76 g/mol. Its IUPAC name is 1,1,2,3,4,5,6-heptamethylpiperidin-1-ium;2,3,4,4,5,6-hexamethylmorpholin-4-ium;1,2,3,4,5,6-hexamethylpyridin-1-ium;1,1,2,3,4,5-hexamethylpyrrolidin-1-ium;1,2,3,4,5-pentamethyl-2H-imidazole;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,3,5,6-pentamethylpyridin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;1,2,3,4,5-pentamethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethyl-3H-1,2,4-triazole.

Molecular Properties

• Compound Name: 1,1,2,3,4,5,6-heptamethylpiperidin-1-ium;2,3,4,4,5,6-hexamethylmorpholin-4-ium;1,2,3,4,5,6-hexamethylpyridin-1-ium;1,1,2,3,4,5-hexamethylpyrrolidin-1-ium;1,2,3,4,5-pentamethyl-2H-imidazole;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,3,5,6-pentamethylpyridin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;1,2,3,4,5-pentamethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethyl-3H-1,2,4-triazole
• PubChem CID: 162287890
• Molecular Formula: C102H191N16O+7
• Molecular Weight: 1657.76 g/mol
• Exact Mass: 1656.53
• IUPAC Name: 1,1,2,3,4,5,6-heptamethylpiperidin-1-ium;2,3,4,4,5,6-hexamethylmorpholin-4-ium;1,2,3,4,5,6-hexamethylpyridin-1-ium;1,1,2,3,4,5-hexamethylpyrrolidin-1-ium;1,2,3,4,5-pentamethyl-2H-imidazole;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,3,5,6-pentamethylpyridin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;1,2,3,4,5-pentamethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethyl-3H-1,2,4-triazole
• SMILES: CC1=C(C)N(C)C(C)N1C.CC1=NN(C)C(C)N1C.CC1C(C)C(C)[N+](C)(C)C(C)C1C.CC1C(C)C(C)[N+](C)(C)C1C.CC1OC(C)C(C)[N+](C)(C)C1C.Cc1c(C)c(C)[n+](C)c(C)c1C.Cc1c(C)c(C)n(C)c1C.Cc1cc(C)c(C)[n+](C)c1C.Cc1cc(C)n(C)c1C.Cc1n[n+](C)c(C)c(C)c1C.Cc1nc(C)[n+](C)c(C)c1C
• InChI: InChI=1S/C12H26N.C11H18N.C10H22NO.C10H22N.C10H16N.2C9H15N2.C9H15N.C8H16N2.C8H13N.C6H13N3/c1-8-9(2)11(4)13(6,7)12(5)10(8)3;1-7-8(2)10(4)12(6)11(5)9(7)3;1-7-9(3)12-10(4)8(2)11(7,5)6;1-7-8(2)10(4)11(5,6)9(7)3;1-7-6-8(2)10(4)11(5)9(7)3;1-6-7(2)10-9(4)11(5)8(6)3;1-6-7(2)9(4)11(5)10-8(6)3;1-6-7(2)9(4)10(5)8(6)3;1-6-7(2)10(5)8(3)9(6)4;1-6-5-7(2)9(4)8(6)3;1-5-7-9(4)6(2)8(5)3/h8-12H,1-7H3;1-6H3;7-10H,1-6H3;7-10H,1-6H3;6H,1-5H3;2*1-5H3;1-5H3;8H,1-5H3;5H,1-4H3;6H,1-4H3/q7*+1
• InChIKey: DKGFAXFAVAGJAO-UHFFFAOYSA-N
• XLogP: 18.82
• TPSA: 85.71 Ų
• H-Bond Acceptors: 10
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1657.76
LogP ≤ 5	18.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,4,5,6-heptamethylpiperidin-1-ium;2,3,4,4,5,6-hexamethylmorpholin-4-ium;1,2,3,4,5,6-hexamethylpyridin-1-ium;1,1,2,3,4,5-hexamethylpyrrolidin-1-ium;1,2,3,4,5-pentamethyl-2H-imidazole;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,3,5,6-pentamethylpyridin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;1,2,3,4,5-pentamethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethyl-3H-1,2,4-triazole?

The IUPAC name of 1,1,2,3,4,5,6-heptamethylpiperidin-1-ium;2,3,4,4,5,6-hexamethylmorpholin-4-ium;1,2,3,4,5,6-hexamethylpyridin-1-ium;1,1,2,3,4,5-hexamethylpyrrolidin-1-ium;1,2,3,4,5-pentamethyl-2H-imidazole;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,3,5,6-pentamethylpyridin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;1,2,3,4,5-pentamethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethyl-3H-1,2,4-triazole (CID 162287890) is 1,1,2,3,4,5,6-heptamethylpiperidin-1-ium;2,3,4,4,5,6-hexamethylmorpholin-4-ium;1,2,3,4,5,6-hexamethylpyridin-1-ium;1,1,2,3,4,5-hexamethylpyrrolidin-1-ium;1,2,3,4,5-pentamethyl-2H-imidazole;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,3,5,6-pentamethylpyridin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;1,2,3,4,5-pentamethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethyl-3H-1,2,4-triazole.

What is the SMILES notation for 1,1,2,3,4,5,6-heptamethylpiperidin-1-ium;2,3,4,4,5,6-hexamethylmorpholin-4-ium;1,2,3,4,5,6-hexamethylpyridin-1-ium;1,1,2,3,4,5-hexamethylpyrrolidin-1-ium;1,2,3,4,5-pentamethyl-2H-imidazole;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,3,5,6-pentamethylpyridin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;1,2,3,4,5-pentamethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethyl-3H-1,2,4-triazole?

The canonical SMILES for 1,1,2,3,4,5,6-heptamethylpiperidin-1-ium;2,3,4,4,5,6-hexamethylmorpholin-4-ium;1,2,3,4,5,6-hexamethylpyridin-1-ium;1,1,2,3,4,5-hexamethylpyrrolidin-1-ium;1,2,3,4,5-pentamethyl-2H-imidazole;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,3,5,6-pentamethylpyridin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;1,2,3,4,5-pentamethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethyl-3H-1,2,4-triazole is CC1=C(C)N(C)C(C)N1C.CC1=NN(C)C(C)N1C.CC1C(C)C(C)[N+](C)(C)C(C)C1C.CC1C(C)C(C)[N+](C)(C)C1C.CC1OC(C)C(C)[N+](C)(C)C1C.Cc1c(C)c(C)[n+](C)c(C)c1C.Cc1c(C)c(C)n(C)c1C.Cc1cc(C)c(C)[n+](C)c1C.Cc1cc(C)n(C)c1C.Cc1n[n+](C)c(C)c(C)c1C.Cc1nc(C)[n+](C)c(C)c1C.

What is the InChIKey of 1,1,2,3,4,5,6-heptamethylpiperidin-1-ium;2,3,4,4,5,6-hexamethylmorpholin-4-ium;1,2,3,4,5,6-hexamethylpyridin-1-ium;1,1,2,3,4,5-hexamethylpyrrolidin-1-ium;1,2,3,4,5-pentamethyl-2H-imidazole;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,3,5,6-pentamethylpyridin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;1,2,3,4,5-pentamethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethyl-3H-1,2,4-triazole?

The InChIKey is DKGFAXFAVAGJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N.C11H18N.C10H22NO.C10H22N.C10H16N.2C9H15N2.C9H15N.C8H16N2.C8H13N.C6H13N3/c1-8-9(2)11(4)13(6,7)12(5)10(8)3;1-7-8(2)10(4)12(6)11(5)9(7)3;1-7-9(3)12-10(4)8(2)11(7,5)6;1-7-8(2)10(4)11(5,6)9(7)3;1-7-6-8(2)10(4)11(5)9(7)3;1-6-7(2)10-9(4)11(5)8(6)3;1-6-7(2)9(4)11(5)10-8(6)3;1-6-7(2)9(4)10(5)8(6)3;1-6-7(2)10(5)8(3)9(6)4;1-6-5-7(2)9(4)8(6)3;1-5-7-9(4)6(2)8(5)3/h8-12H,1-7H3;1-6H3;7-10H,1-6H3;7-10H,1-6H3;6H,1-5H3;2*1-5H3;1-5H3;8H,1-5H3;5H,1-4H3;6H,1-4H3/q7*+1;;;;.

What are the key properties of 1,1,2,3,4,5,6-heptamethylpiperidin-1-ium;2,3,4,4,5,6-hexamethylmorpholin-4-ium;1,2,3,4,5,6-hexamethylpyridin-1-ium;1,1,2,3,4,5-hexamethylpyrrolidin-1-ium;1,2,3,4,5-pentamethyl-2H-imidazole;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,3,5,6-pentamethylpyridin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;1,2,3,4,5-pentamethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethyl-3H-1,2,4-triazole?

1,1,2,3,4,5,6-heptamethylpiperidin-1-ium;2,3,4,4,5,6-hexamethylmorpholin-4-ium;1,2,3,4,5,6-hexamethylpyridin-1-ium;1,1,2,3,4,5-hexamethylpyrrolidin-1-ium;1,2,3,4,5-pentamethyl-2H-imidazole;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,3,5,6-pentamethylpyridin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;1,2,3,4,5-pentamethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethyl-3H-1,2,4-triazole has a molecular weight of 1657.76 g/mol, XLogP of 18.82, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,2,3,4,5,6-heptamethylpiperidin-1-ium;2,3,4,4,5,6-hexamethylmorpholin-4-ium;1,2,3,4,5,6-hexamethylpyridin-1-ium;1,1,2,3,4,5-hexamethylpyrrolidin-1-ium;1,2,3,4,5-pentamethyl-2H-imidazole;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,3,5,6-pentamethylpyridin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;1,2,3,4,5-pentamethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethyl-3H-1,2,4-triazole is sourced from PubChem (CID 162287890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).